Molecule

ID:40504

General Information
Structure
Molecular Formula
C₂₀H₁₆O₃
Molecular Mass
304.33924
Exact Mass
304.10994437
Charge
0
InChI
InChI=1S/C20H16O3/c21-14-17-8-4-5-9-20(17)23-19-12-10-18(11-13-19)22-15-16-6-2-1-3-7-16/h1-14H,15H2
InChIKey
XZOLMMBUVFEHQX-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1Oc1ccc(cc1)OCc1ccccc1
Isomeric Smiles
c1(c(C=O)cccc1)Oc1ccc(OCc2ccccc2)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.752837
LogD (pH = 7.4)
4.752837
Log P
4.752837
Molar Refractivity
89.9586
Polarizability
34.674473
Polar Surface Area
35.53
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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